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SCHEMBL4534082

SCHEMBL4534082

C[C@@H]1CN(C2(CNC(=O)c3cn(-c4nccc(N)n4)c4cccc(Cl)c34)CCCCC2)CCN1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 11/20 0.45
▸ IL1B P01584 11/20 0.41
▸ HCN4 Q9Y3Q4 2/20 0.41
▸ HCN1 O60741 1/20 0.40
▸ HCN3 Q9P1Z3 1/20 0.40
▸ HCN2 Q9UL51 1/20 0.40
▸ SLC6A9 P48067 6/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4531164 0.93 P2RX7 (0.46) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706815 0.92 P2RX7 (0.48) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706899 0.92 P2RX7 (0.48) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL4364179 0.92 P2RX7 (0.48) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706882 0.90 P2RX7 (0.44) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706599 0.89 P2RX7 (0.45) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL4532044 0.87 P2RX7 (0.46) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706848 0.86 P2RX7 (0.45) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL13706851 0.86 P2RX7 (0.45) P2RX7IL1BHCN4HCN1HCN3
SCHEMBL4538239 0.86 P2RX7 (0.46) P2RX7IL1BHCN4HCN1HCN3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO disclosed